[3-[1-ethanoyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]naphthalen-2-yl] ethanoate

Systemtic Name: [3-[1-ethanoyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]naphthalen-2-yl] ethanoate Openeye Name: [3-[1-acetyl-4-(4-fluorophenyl)-5-thioxo-1,2,4-triazol-3-yl]-2-naphthyl] acetate CAS Name: acetic acid [3-[1-acetyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]-2-naphthalenyl] ester IUPAC Name: [3-[1-acetyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]naphthalen-2-yl] acetate Traditional Name: acetic acid [3-[1-acetyl-4-(4-fluorophenyl)-5-thioxo-1,2,4-triazol-3-yl]-2-naphthyl] ester Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2OC(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2OC(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c1-13(27)26-22(30)25(18-9-7-17(23)8-10-18)21(24-26)19-11-15-5-3-4-6-16(15)12-20(19)29-14(2)28/h3-12H,1-2H3